Calicheamicin, full system, TS, wB97XD/Def2-svpp ==>crystal conformation DG = 38.6 (+44.7) ==> 1,4 addition model G = -5769.937746 = 0.2421 IRC
收藏DataCite Commons2025-06-10 更新2025-04-16 收录
下载链接:
https://data.hpc.imperial.ac.uk/resolve/?doi=14688
下载链接
链接失效反馈官方服务:
资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2024-10-18



